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56469-02-4 | 1(2H)-Isoquinolinone, 3,4-dihydro-5-hydroxy-
CAS No: 56469-02-4 Catalog No: AG00IA2Q MDL No:MFCD02258901
Product Description
Catalog Number:
AG00IA2Q
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-5-hydroxy-
CAS Number:
56469-02-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD02258901
IUPAC Name:
5-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,11H,4-5H2,(H,10,12)
InChI Key:
CMNQIVHHHBBVSC-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cccc2O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Novel isoquinolinone-derived inhibitors of poly(ADP-ribose) polymerase-1: pharmacological characterization and neuroprotective effects in an in vitro model of cerebral ischemia. | The Journal of pharmacology and experimental therapeutics 20030601 |
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